Chemical ID: 6716354

c1cc(c[nH+]c1)C=C2C(=O)OC(=N2)c3ccc(c(c3)[N+](=O)[O-])Cl
Chemical ID:
6716354
Name [?]:
2-(4-chloro-3-nitro-phenyl)-4-(1H-pyridin-3-ylmethylene)oxazol-5-one
SMILES [?]:
c1cc(c[nH+]c1)C=C2C(=O)OC(=N2)c3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H9ClN3O4+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-30.5553
Area:506.239
Solvation:-43.2113
Coulombic:-24.6196
Bond Count [?]
All:25
Single:15
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:330.702
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.92
LogP (Chemaxon):2.82

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Experimental Annotations

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Descriptor Annotations

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